SCHEMBL31309368

SCHEMBL31309368

COC(=O)c1cc(Br)c(N)[n+](N)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.36
▸ F2 P00734 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16897621 0.89 KMT2A (0.36) CA1CA2CA12CA9CA14
SCHEMBL16897547 0.85 CYP2C9 (0.44) CYP2C9POLBCA1CA2CA12
SCHEMBL18233145 0.83 NOTUM (0.43) CYP2C9POLBCA1CA2CA12
SCHEMBL25283314 0.81 F2 (0.37) CYP2C9F2PRSS1PRSS2PRSS3
SCHEMBL23320425 0.81 CYP2C9 (0.43) CYP2C9F2PRSS1PRSS2PRSS3
SCHEMBL28628697 0.80 RAPGEF4 (0.35) F2PRSS1PRSS2PRSS3POLB
SCHEMBL23755933 0.76 F2 (0.37) CYP2C9F2PRSS1PRSS2PRSS3
SCHEMBL23755575 0.76 F2 (0.37) CYP2C9F2PRSS1PRSS2PRSS3
SCHEMBL29942396 0.76 F2 (0.37) CYP2C9F2PRSS1PRSS2PRSS3
SCHEMBL25239950 0.74 F2 (0.36) F2PRSS1PRSS2PRSS3POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731207-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2026-04-29 — — EP disclosed
WO-2025006293-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-01-02 — — WO disclosed
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